1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine

C23H28ClN5 — CID 166215967

IUPAC1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCc1cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)c2cc(Cl)cc(C)c2n1
InChIInChI=1S/C23H28ClN5/c1-16-11-19(24)13-20-21(12-17(2)26-23(16)20)28-7-9-29(10-8-28)22-6-5-18(14-25-22)15-27(3)4/h5-6,11-14H,7-10,15H2,1-4H3
InChIKeyZXMNEBGEABQBDN-UHFFFAOYSA-N
MW409.97 g/mol
LogP4.29
Rot. Bonds4

About 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine

1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine (PubChem CID 166215967) has the molecular formula C23H28ClN5 and a molecular weight of 409.97 g/mol. Its IUPAC name is 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine
PubChem CID166215967
Molecular FormulaC23H28ClN5
Molecular Weight409.97 g/mol
Exact Mass409.20
IUPAC Name1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine
SMILESCc1cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)c2cc(Cl)cc(C)c2n1
InChIInChI=1S/C23H28ClN5/c1-16-11-19(24)13-20-21(12-17(2)26-23(16)20)28-7-9-29(10-8-28)22-6-5-18(14-25-22)15-27(3)4/h5-6,11-14H,7-10,15H2,1-4H3
InChIKeyZXMNEBGEABQBDN-UHFFFAOYSA-N
XLogP4.29
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.97
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 166010057
N,N-dimethyl-1-[6-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 133329565
(7-chloro-8-methylquinolin-3-yl)-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166402725
4-acetyl-2-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]benzonitrile
CID 133457756
6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236949
4-[5-[(2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)oxymethyl]-2-pyridinyl]morpholine
CID 22641425
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
CID 166235300
[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]-[3-[[(4-methylpyrimidin-2-yl)amino]methyl]phenyl]methanone
CID 166207538
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
4-(2,8-dimethylquinolin-4-yl)morpholine
CID 71424846
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166402728

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine (CID 166215967) is 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine is Cc1cc(N2CCN(c3ccc(CN(C)C)cn3)CC2)c2cc(Cl)cc(C)c2n1.
What is the InChIKey of 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
The InChIKey is ZXMNEBGEABQBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5/c1-16-11-19(24)13-20-21(12-17(2)26-23(16)20)28-7-9-29(10-8-28)22-6-5-18(14-25-22)15-27(3)4/h5-6,11-14H,7-10,15H2,1-4H3.
What are the key properties of 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine?
1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine has a molecular weight of 409.97 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(6-chloro-2,8-dimethylquinolin-4-yl)piperazin-1-yl]-3-pyridinyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 166215967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).